[2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate

C11H13F6NO4S — CID 58980495

IUPAC[2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO4S/c1-6(10(12,13)14)9(19)22-8-5-3-2-4-7(8)18-23(20,21)11(15,16)17/h7-8,18H,1-5H2
InChIKeyJNLJLYZWIQWRIZ-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.40
Rot. Bonds4

About [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate

[2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate (PubChem CID 58980495) has the molecular formula C11H13F6NO4S and a molecular weight of 369.28 g/mol. Its IUPAC name is [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
PubChem CID58980495
Molecular FormulaC11H13F6NO4S
Molecular Weight369.28 g/mol
Exact Mass369.05
IUPAC Name[2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO4S/c1-6(10(12,13)14)9(19)22-8-5-3-2-4-7(8)18-23(20,21)11(15,16)17/h7-8,18H,1-5H2
InChIKeyJNLJLYZWIQWRIZ-UHFFFAOYSA-N
XLogP2.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate (CID 58980495) is [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OC1CCCCC1NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is JNLJLYZWIQWRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6NO4S/c1-6(10(12,13)14)9(19)22-8-5-3-2-4-7(8)18-23(20,21)11(15,16)17/h7-8,18H,1-5H2.
What are the key properties of [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
[2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 369.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 58980495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).